(2-cyanophenyl) 2,5-dimethylbenzenesulfonate

Systemtic Name: (2-cyanophenyl) 2,5-dimethylbenzenesulfonate Openeye Name: (2-cyanophenyl) 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid (2-cyanophenyl) ester Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C#N

InChI

InChI=1S/C15H13NO3S/c1-11-7-8-12(2)15(9-11)20(17,18)19-14-6-4-3-5-13(14)10-16/h3-9H,1-2H3